==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-FEB-12 4AJR . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP]; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.GONCALVES,S.P.MILLER,M.A.CARRONDO,A.M.DEAN,P.M.MATIAS . 415 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 34 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 0 1 3 0 0 2 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A E 0 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.9 -67.7 -13.4 -11.6 2 3 A S - 0 0 63 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.190 360.0-174.4 -58.6 144.0 -64.4 -12.2 -13.0 3 4 A K + 0 0 116 2,-0.0 2,-0.3 65,-0.0 -1,-0.1 0.386 54.2 101.6-119.0 -2.7 -62.6 -9.4 -11.2 4 5 A V - 0 0 16 61,-0.0 2,-0.6 64,-0.0 63,-0.1 -0.654 63.6-142.4 -85.6 137.8 -59.8 -8.9 -13.7 5 6 A V - 0 0 118 61,-0.3 61,-0.2 -2,-0.3 -2,-0.0 -0.908 9.8-142.4-101.6 118.8 -59.9 -6.0 -16.1 6 7 A V - 0 0 76 -2,-0.6 59,-0.1 1,-0.1 58,-0.1 -0.694 33.1-107.9 -79.0 123.0 -58.6 -6.8 -19.6 7 8 A P > - 0 0 25 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.195 19.4-142.9 -54.6 136.8 -56.7 -3.7 -20.8 8 9 A A T 3 S+ 0 0 100 1,-0.2 -2,-0.0 3,-0.0 55,-0.0 0.905 94.9 44.6 -66.8 -39.8 -58.5 -1.9 -23.6 9 10 A Q T 3 S+ 0 0 157 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.022 97.4 89.2-102.8 29.0 -55.5 -0.9 -25.6 10 11 A G < - 0 0 20 -3,-0.8 2,-0.3 53,-0.0 52,-0.1 -0.813 57.4-141.3-122.9 165.3 -53.5 -4.2 -25.6 11 12 A K B -a 26 0A 135 14,-3.5 16,-1.9 -2,-0.3 2,-0.2 -0.937 25.8-108.0-124.6 148.3 -53.2 -7.3 -27.7 12 13 A K - 0 0 83 -2,-0.3 2,-0.2 14,-0.2 82,-0.1 -0.463 28.0-123.3 -72.8 136.6 -52.7 -11.0 -26.7 13 14 A I - 0 0 1 14,-0.4 2,-0.3 81,-0.3 9,-0.2 -0.588 33.4-161.2 -71.2 140.9 -49.4 -12.8 -27.3 14 15 A T B -B 21 0B 46 7,-1.8 7,-3.2 -2,-0.2 2,-0.5 -0.807 20.0-129.4-123.1 166.8 -49.9 -15.9 -29.5 15 16 A L - 0 0 36 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.677 23.8-172.7-119.9 77.1 -47.8 -19.0 -30.1 16 17 A Q > - 0 0 110 -2,-0.5 3,-1.5 3,-0.5 2,-0.6 -0.597 69.8 -35.0 -73.0 109.7 -47.5 -19.5 -33.9 17 18 A N T 3 S- 0 0 157 -2,-0.7 -2,-0.0 1,-0.3 3,-0.0 -0.717 122.8 -37.7 78.6-117.6 -45.8 -22.9 -34.4 18 19 A G T 3 S+ 0 0 67 -2,-0.6 2,-0.3 2,-0.1 -1,-0.3 0.295 124.3 92.8-112.8 1.9 -43.3 -23.2 -31.6 19 20 A K S < S- 0 0 159 -3,-1.5 -3,-0.5 -4,-0.0 2,-0.3 -0.708 76.0-118.3-102.8 147.1 -42.5 -19.5 -31.8 20 21 A L - 0 0 51 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.603 13.2-151.8 -80.1 138.3 -44.0 -16.5 -29.9 21 22 A N B -B 14 0B 90 -7,-3.2 -7,-1.8 -2,-0.3 345,-0.0 -0.904 19.0-172.6-108.3 102.2 -45.8 -13.8 -31.8 22 23 A V - 0 0 31 -2,-0.7 -9,-0.1 -9,-0.2 -10,-0.1 -0.842 8.0-152.7-100.2 118.7 -45.3 -10.7 -29.6 23 24 A P - 0 0 27 0, 0.0 -10,-0.0 0, 0.0 -1,-0.0 -0.138 30.0-104.7 -78.5-176.5 -47.3 -7.6 -30.7 24 25 A E S S+ 0 0 106 1,-0.2 37,-2.5 36,-0.1 -2,-0.0 0.747 118.6 40.8 -79.9 -25.2 -46.2 -4.1 -30.0 25 26 A N S S+ 0 0 60 35,-0.2 -14,-3.5 37,-0.1 -1,-0.2 -0.560 84.1 179.6-120.8 63.3 -48.8 -3.7 -27.3 26 27 A P B -a 11 0A 0 0, 0.0 37,-3.0 0, 0.0 2,-0.7 -0.394 27.0-130.0 -72.9 139.8 -48.7 -7.0 -25.5 27 28 A I E -c 63 0C 5 -16,-1.9 -14,-0.4 35,-0.2 69,-0.3 -0.820 26.4-169.5 -85.7 120.5 -50.9 -7.7 -22.5 28 29 A I E -c 64 0C 0 35,-1.7 37,-2.5 -2,-0.7 2,-0.2 -0.942 11.9-145.3-114.8 112.1 -48.8 -9.0 -19.6 29 30 A P E -c 65 0C 0 0, 0.0 69,-1.7 0, 0.0 2,-0.4 -0.486 21.9-173.6 -64.9 136.7 -50.6 -10.5 -16.6 30 31 A Y E -cd 66 98C 31 35,-2.2 37,-2.6 67,-0.2 2,-0.5 -0.997 20.2-148.8-134.0 146.7 -48.8 -9.9 -13.3 31 32 A I E - d 0 99C 5 67,-2.2 69,-2.2 -2,-0.4 37,-0.1 -0.951 12.8-146.8-105.7 127.2 -49.3 -11.0 -9.7 32 33 A E - 0 0 46 -2,-0.5 9,-0.2 35,-0.5 -1,-0.1 0.919 36.6-141.5 -58.3 -47.3 -48.2 -8.5 -7.1 33 34 A G - 0 0 11 36,-0.3 69,-0.2 67,-0.3 5,-0.1 -0.019 13.8 -82.3 97.9 155.3 -47.1 -11.2 -4.6 34 35 A D S > S+ 0 0 20 67,-2.7 3,-2.6 3,-0.2 4,-0.0 -0.291 91.6 0.4 -80.3 173.3 -47.4 -11.4 -0.8 35 36 A G T > S+ 0 0 22 1,-0.3 3,-1.5 2,-0.2 311,-0.2 -0.202 140.1 8.7 57.9-125.9 -45.0 -9.8 1.7 36 37 A I T >> S+ 0 0 4 304,-1.9 4,-2.5 1,-0.3 3,-2.3 0.628 109.2 89.5 -65.3 -14.5 -42.2 -7.8 -0.0 37 38 A G H <> S+ 0 0 0 -3,-2.6 4,-2.1 1,-0.3 -1,-0.3 0.888 80.4 62.6 -45.4 -39.8 -44.1 -8.3 -3.3 38 39 A V H <4 S+ 0 0 64 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.775 112.6 34.6 -58.7 -27.7 -45.8 -5.1 -2.3 39 40 A D H <> S+ 0 0 15 -3,-2.3 4,-1.1 -4,-0.2 -2,-0.2 0.918 120.2 42.8 -90.5 -57.4 -42.5 -3.3 -2.5 40 41 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -3,-0.2 0.804 107.1 59.9 -65.1 -32.4 -40.6 -5.0 -5.3 41 42 A T H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.4 5,-0.2 0.950 101.6 48.8 -68.4 -50.6 -43.4 -5.2 -7.8 42 43 A P H > S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.880 113.1 52.6 -52.1 -38.0 -44.3 -1.5 -8.2 43 44 A A H X S+ 0 0 9 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.877 106.7 50.7 -68.0 -40.2 -40.6 -1.0 -8.7 44 45 A M H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.916 109.8 51.3 -62.0 -43.1 -40.4 -3.6 -11.4 45 46 A L H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.937 111.2 47.3 -60.6 -45.7 -43.3 -2.0 -13.3 46 47 A K H X S+ 0 0 115 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.934 115.8 44.2 -61.1 -47.8 -41.7 1.4 -13.2 47 48 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 113.9 48.4 -70.0 -42.1 -38.3 0.1 -14.4 48 49 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.938 109.9 52.2 -63.5 -46.5 -39.7 -2.1 -17.1 49 50 A D H X S+ 0 0 68 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.876 111.0 49.6 -55.6 -37.6 -41.9 0.6 -18.5 50 51 A A H X S+ 0 0 17 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.905 110.0 48.3 -68.9 -45.0 -38.9 2.9 -18.6 51 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.903 114.0 47.2 -64.8 -40.3 -36.6 0.4 -20.4 52 53 A V H X S+ 0 0 4 -4,-2.6 4,-1.8 2,-0.2 6,-0.4 0.934 112.4 49.9 -67.4 -43.8 -39.3 -0.3 -23.0 53 54 A E H X S+ 0 0 104 -4,-2.4 4,-1.3 -5,-0.3 5,-0.3 0.955 115.1 43.1 -58.2 -50.9 -40.0 3.4 -23.4 54 55 A K H < S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.7 48.9 -64.8 -38.0 -36.3 4.2 -23.9 55 56 A A H < S+ 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.841 128.7 19.8 -70.7 -32.6 -35.5 1.2 -26.2 56 57 A Y H >< S- 0 0 21 -4,-1.8 3,-2.9 -5,-0.2 -2,-0.2 0.198 92.9-132.3-129.5 9.5 -38.4 1.7 -28.6 57 58 A K T 3< S- 0 0 160 -4,-1.3 -4,-0.1 1,-0.3 -3,-0.1 0.746 77.5 -41.9 39.4 43.4 -39.4 5.3 -28.0 58 59 A G T 3 S+ 0 0 49 -6,-0.4 -1,-0.3 -5,-0.3 -5,-0.1 0.189 114.2 108.7 98.4 -18.5 -43.1 4.7 -27.7 59 60 A E S < S+ 0 0 134 -3,-2.9 2,-0.3 -6,-0.2 -2,-0.1 0.895 85.6 34.8 -56.2 -39.7 -43.4 2.2 -30.6 60 61 A R + 0 0 70 -8,-0.3 -2,-0.3 -4,-0.2 2,-0.3 -0.855 65.7 166.8-119.3 152.4 -43.9 -0.5 -28.0 61 62 A K - 0 0 119 -37,-2.5 2,-0.5 -2,-0.3 -12,-0.1 -0.967 30.2-123.3-159.5 144.8 -45.7 -0.6 -24.6 62 63 A I - 0 0 2 -2,-0.3 2,-1.0 -37,-0.2 -35,-0.2 -0.782 12.8-147.4 -91.7 131.9 -46.8 -3.3 -22.2 63 64 A S E -c 27 0C 10 -37,-3.0 -35,-1.7 -2,-0.5 2,-0.3 -0.852 24.2-148.3 -94.9 97.6 -50.5 -3.4 -21.2 64 65 A W E -c 28 0C 46 -2,-1.0 2,-0.5 -37,-0.2 -37,-0.1 -0.494 13.8-168.2 -70.0 129.1 -50.1 -4.6 -17.6 65 66 A M E -c 29 0C 2 -37,-2.5 -35,-2.2 -2,-0.3 2,-0.3 -0.953 13.3-140.9-122.2 113.8 -53.0 -6.7 -16.4 66 67 A E E +c 30 0C 41 -2,-0.5 -61,-0.3 -37,-0.2 2,-0.3 -0.528 23.2 177.5 -74.4 131.9 -53.2 -7.5 -12.7 67 68 A I - 0 0 1 -37,-2.6 -35,-0.5 -2,-0.3 2,-0.4 -0.866 22.2-112.7-129.5 168.6 -54.3 -11.0 -11.7 68 69 A Y + 0 0 34 -2,-0.3 2,-0.3 -37,-0.1 19,-0.2 -0.834 37.7 144.5-122.5 138.3 -54.7 -12.5 -8.3 69 70 A T > + 0 0 3 -2,-0.4 3,-0.5 14,-0.1 -36,-0.3 -0.952 57.9 6.6-155.4 148.8 -53.1 -15.2 -6.1 70 71 A G T >> S- 0 0 0 12,-2.7 4,-1.3 -2,-0.3 3,-0.7 -0.404 118.7 -10.2 82.3-153.2 -52.5 -15.4 -2.4 71 72 A E H 3> S+ 0 0 91 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.858 135.0 52.0 -49.2 -44.5 -53.6 -12.9 0.3 72 73 A K H <> S+ 0 0 70 -3,-0.5 4,-0.6 1,-0.3 -1,-0.3 0.846 103.8 58.7 -68.9 -31.3 -54.8 -10.3 -2.3 73 74 A S H <> S+ 0 0 0 -3,-0.7 4,-2.8 1,-0.2 3,-0.4 0.842 104.5 50.7 -64.6 -33.9 -56.8 -12.9 -4.0 74 75 A T H X S+ 0 0 10 -4,-1.3 4,-1.3 -3,-0.5 -1,-0.2 0.838 108.3 52.1 -73.2 -32.5 -58.8 -13.5 -0.8 75 76 A Q H < S+ 0 0 142 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.578 118.9 37.4 -76.1 -10.9 -59.4 -9.8 -0.4 76 77 A V H < S+ 0 0 35 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.2 0.794 129.9 25.6-107.4 -44.6 -60.8 -9.7 -3.9 77 78 A Y H < S- 0 0 60 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.536 116.4 -97.4-101.4 -10.5 -62.7 -12.9 -4.4 78 79 A G >< - 0 0 34 -4,-1.3 3,-1.3 -5,-0.3 -1,-0.3 -0.332 57.5 -43.9 109.2 164.7 -63.5 -13.6 -0.7 79 80 A Q T 3 S+ 0 0 165 1,-0.2 3,-0.1 -2,-0.1 -8,-0.0 -0.149 120.8 31.3 -60.7 159.8 -61.9 -15.8 1.9 80 81 A D T 3 S+ 0 0 129 1,-0.1 2,-1.1 2,-0.0 3,-0.3 0.244 88.2 107.4 79.8 -17.5 -60.8 -19.3 1.0 81 82 A V < + 0 0 37 -3,-1.3 -4,-0.3 1,-0.2 -5,-0.2 -0.760 29.2 147.2 -98.1 94.2 -60.0 -18.3 -2.6 82 83 A W S S+ 0 0 84 -2,-1.1 -12,-2.7 1,-0.2 -9,-0.2 0.768 75.4 26.6 -93.2 -35.7 -56.2 -18.3 -2.7 83 84 A L S S- 0 0 42 -3,-0.3 -1,-0.2 -14,-0.2 -14,-0.1 -0.724 79.5-154.6-135.5 85.2 -55.8 -19.5 -6.2 84 85 A P >> - 0 0 10 0, 0.0 3,-1.1 0, 0.0 4,-1.0 -0.320 21.5-128.6 -56.5 132.8 -58.7 -18.5 -8.5 85 86 A A H 3> S+ 0 0 70 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.828 108.0 67.8 -50.4 -36.8 -59.2 -20.8 -11.6 86 87 A E H 3> S+ 0 0 36 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.912 94.2 56.2 -45.9 -51.6 -59.2 -17.6 -13.6 87 88 A T H <> S+ 0 0 0 -3,-1.1 4,-2.0 1,-0.3 5,-0.2 0.911 106.3 48.0 -55.7 -49.5 -55.6 -17.0 -12.8 88 89 A L H X S+ 0 0 30 -4,-1.0 4,-1.5 1,-0.2 -1,-0.3 0.895 115.0 47.2 -56.7 -39.5 -54.5 -20.4 -14.2 89 90 A D H X S+ 0 0 103 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.906 109.1 53.4 -71.1 -40.8 -56.5 -19.8 -17.3 90 91 A L H X S+ 0 0 18 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.832 108.4 48.8 -64.2 -36.5 -55.2 -16.2 -17.8 91 92 A I H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.2 241,-0.2 0.874 113.2 46.6 -73.2 -38.2 -51.6 -17.2 -17.7 92 93 A R H < S+ 0 0 101 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.904 115.3 48.3 -68.2 -37.2 -52.0 -20.1 -20.2 93 94 A E H < S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.5 39.5 -70.1 -42.2 -54.0 -17.7 -22.4 94 95 A Y H < S- 0 0 15 -4,-2.2 2,-1.8 -5,-0.2 -81,-0.3 0.488 90.9-149.9 -94.8 -3.8 -51.6 -14.8 -22.4 95 96 A R S < S+ 0 0 35 -4,-1.1 237,-2.0 -3,-0.1 2,-0.4 -0.028 71.4 59.7 74.5 -36.5 -48.5 -17.0 -22.6 96 97 A V E + e 0 332C 0 -2,-1.8 2,-0.3 -69,-0.3 237,-0.2 -0.996 61.4 151.6-133.8 128.4 -46.1 -14.7 -20.6 97 98 A A E - e 0 333C 1 235,-1.9 237,-2.9 -2,-0.4 2,-0.3 -0.954 25.4-147.8-151.4 164.8 -46.6 -13.5 -17.1 98 99 A I E -de 30 334C 1 -69,-1.7 -67,-2.2 -2,-0.3 2,-0.3 -0.990 14.0-168.2-139.7 144.9 -44.7 -12.4 -14.0 99 100 A M E -d 31 0C 2 235,-2.9 237,-0.5 -2,-0.3 -67,-0.2 -0.972 19.7-129.8-135.8 152.6 -45.2 -12.7 -10.3 100 101 A G - 0 0 1 -69,-2.2 -67,-0.3 -2,-0.3 -66,-0.1 -0.239 56.9 -69.8 -74.4 178.4 -44.1 -11.5 -6.9 101 102 A P - 0 0 6 0, 0.0 -67,-2.7 0, 0.0 2,-0.4 -0.354 46.3-144.0 -73.3 153.9 -43.3 -14.0 -4.2 102 103 A L - 0 0 8 -69,-0.2 2,-0.3 -3,-0.1 238,-0.2 -0.975 15.1-118.3-125.4 135.0 -46.0 -16.0 -2.5 103 104 A T - 0 0 54 -2,-0.4 10,-0.2 236,-0.1 -32,-0.0 -0.529 23.3-170.5 -78.2 128.2 -46.2 -17.1 1.2 104 105 A T - 0 0 60 -2,-0.3 7,-0.1 8,-0.1 8,-0.1 -0.970 23.7-126.9-115.6 118.4 -46.2 -20.8 2.1 105 106 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 3,-0.2 -0.363 21.6-127.3 -64.6 140.1 -47.0 -21.7 5.7 106 107 A V S S+ 0 0 147 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.785 83.6 3.5 -94.0 123.1 -44.5 -24.0 7.5 107 108 A G S S- 0 0 84 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.253 132.5 -3.1 95.9 -11.7 -45.7 -27.2 9.2 108 109 A G S S+ 0 0 45 -3,-0.2 -1,-0.1 2,-0.1 2,-0.0 -0.930 85.4 82.7 177.6-164.9 -49.4 -26.8 8.2 109 110 A G S S- 0 0 71 -2,-0.3 -2,-0.1 -5,-0.1 -5,-0.0 -0.254 88.5 -14.1 73.9-168.5 -51.8 -24.5 6.3 110 111 A I S S- 0 0 63 1,-0.1 -2,-0.1 -2,-0.0 2,-0.1 -0.261 74.3-107.0 -65.6 152.2 -52.2 -24.4 2.6 111 112 A R - 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0 0 4 1,-0.1 3,-0.5 38,-0.1 4,-0.3 -0.647 25.9-166.2 -78.0 122.4 -33.7 -5.3 -3.2 352 353 A P > + 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.395 66.4 100.7 -86.5 4.9 -36.0 -5.2 -6.3 353 354 A G H > S+ 0 0 0 -33,-0.2 4,-3.0 1,-0.2 -32,-0.2 0.848 74.6 52.9 -56.4 -41.5 -33.1 -6.5 -8.4 354 355 A S H > S+ 0 0 0 -34,-1.2 4,-1.3 -3,-0.5 -30,-0.2 0.957 114.3 39.3 -66.2 -53.1 -34.2 -10.1 -8.5 355 356 A I H > S+ 0 0 2 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.884 115.9 54.6 -63.2 -37.5 -37.7 -9.5 -9.7 356 357 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 109.0 46.6 -61.5 -43.5 -36.4 -6.7 -12.0 357 358 A L H X S+ 0 0 1 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.736 107.2 58.7 -73.6 -18.3 -33.9 -9.1 -13.6 358 359 A S H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.909 106.1 47.7 -72.0 -41.9 -36.7 -11.7 -13.9 359 360 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.893 106.6 58.8 -60.8 -39.3 -38.5 -9.1 -16.0 360 361 A E H X S+ 0 0 17 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.937 107.7 45.1 -52.9 -47.0 -35.2 -8.7 -17.8 361 362 A M H X S+ 0 0 25 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.880 111.2 54.1 -63.1 -38.2 -35.5 -12.5 -18.7 362 363 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 108.1 48.5 -62.3 -47.7 -39.1 -12.0 -19.6 363 364 A L H <>S+ 0 0 0 -4,-3.2 5,-2.4 2,-0.2 4,-0.4 0.930 112.4 47.9 -56.6 -49.6 -38.3 -9.2 -22.1 364 365 A R H ><5S+ 0 0 96 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.949 109.9 53.2 -57.0 -47.4 -35.5 -11.4 -23.6 365 366 A H H 3<5S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.3 51.2 -52.8 -38.3 -38.0 -14.2 -23.7 366 367 A M T 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.491 119.0-113.5 -78.0 -4.0 -40.4 -11.8 -25.6 367 368 A G T < 5S+ 0 0 44 -3,-2.2 2,-1.1 -4,-0.4 3,-0.2 0.582 81.0 128.3 77.7 9.3 -37.6 -10.9 -28.0 368 369 A W >< + 0 0 7 -5,-2.4 4,-1.9 1,-0.2 3,-0.2 -0.446 23.1 154.2 -89.1 59.7 -37.4 -7.4 -26.7 369 370 A T H > + 0 0 52 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.754 62.9 60.5 -63.5 -27.3 -33.7 -7.7 -26.2 370 371 A E H > S+ 0 0 94 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.943 106.9 44.8 -68.9 -47.0 -33.1 -4.0 -26.5 371 372 A A H > S+ 0 0 0 -3,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.917 112.5 53.7 -58.9 -42.5 -35.2 -3.2 -23.5 372 373 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.913 105.6 52.3 -60.3 -42.3 -33.6 -6.1 -21.6 373 374 A D H X S+ 0 0 84 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.838 104.7 56.9 -65.5 -32.1 -30.1 -4.7 -22.3 374 375 A L H X S+ 0 0 32 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.879 105.5 50.9 -64.7 -37.4 -31.3 -1.4 -20.9 375 376 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.3 -2,-0.2 0.955 110.3 47.8 -64.8 -48.8 -32.2 -3.0 -17.6 376 377 A V H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.920 112.9 50.0 -54.4 -45.2 -28.8 -4.8 -17.3 377 378 A K H X S+ 0 0 111 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.932 110.4 48.9 -61.4 -46.8 -27.1 -1.5 -18.1 378 379 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.887 110.7 51.6 -60.0 -42.2 -29.2 0.4 -15.5 379 380 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.951 111.0 46.1 -59.3 -52.5 -28.4 -2.3 -12.9 380 381 A E H X S+ 0 0 80 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.907 113.7 50.4 -61.4 -40.9 -24.7 -2.1 -13.4 381 382 A G H X S+ 0 0 19 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.965 111.3 46.4 -58.4 -54.1 -24.8 1.6 -13.3 382 383 A A H <>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 -2,-0.2 0.887 116.3 44.9 -60.2 -39.7 -26.7 1.8 -10.1 383 384 A I H ><5S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.922 111.5 51.6 -70.7 -45.0 -24.5 -0.8 -8.4 384 385 A N H 3<5S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 103.0 60.5 -59.8 -30.5 -21.3 0.8 -9.6 385 386 A A T 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 15,-0.2 0.448 109.1-129.2 -73.4 -0.8 -22.6 4.1 -8.3 386 387 A K T < 5 + 0 0 95 -3,-2.1 14,-2.2 1,-0.2 2,-0.7 0.800 66.6 134.5 50.9 32.3 -22.6 2.4 -4.9 387 388 A T E < +o 400 0E 26 -5,-1.8 2,-0.3 12,-0.2 -1,-0.2 -0.896 36.9 140.4-108.9 103.5 -26.2 3.6 -4.4 388 389 A V E -o 401 0E 0 12,-2.3 14,-3.9 -2,-0.7 2,-0.1 -0.820 50.9 -88.4-145.7 168.8 -27.9 0.5 -3.1 389 390 A T >> - 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0 0 15 -14,-3.9 -12,-0.4 -2,-0.7 2,-0.1 -0.724 21.1-120.2-102.5 150.6 -31.4 3.6 -0.9 403 404 A K > - 0 0 107 -2,-0.3 4,-2.9 -14,-0.1 -54,-0.3 -0.401 38.2-101.0 -73.2 163.8 -34.9 2.4 -0.4 404 405 A C H > S+ 0 0 0 -56,-2.1 4,-1.7 1,-0.2 -55,-0.1 0.917 124.7 44.9 -53.6 -50.4 -36.4 -0.2 -2.8 405 406 A S H > S+ 0 0 51 -57,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 113.1 52.9 -61.5 -39.3 -38.4 2.4 -4.8 406 407 A E H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.925 105.8 51.3 -64.0 -45.1 -35.3 4.7 -4.8 407 408 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.847 105.3 58.9 -62.7 -32.2 -33.1 1.9 -6.2 408 409 A G H X S+ 0 0 1 -4,-1.7 4,-1.7 -5,-0.2 3,-0.4 0.965 108.0 44.2 -56.2 -52.6 -35.7 1.5 -8.9 409 410 A D H X S+ 0 0 61 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.885 108.0 59.2 -60.8 -39.5 -35.2 5.1 -9.9 410 411 A A H X S+ 0 0 4 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.888 104.0 51.7 -55.3 -39.5 -31.4 4.7 -9.7 411 412 A I H < S+ 0 0 0 -4,-1.9 -1,-0.2 -3,-0.4 3,-0.2 0.930 110.4 47.6 -65.8 -43.9 -31.7 1.9 -12.3 412 413 A I H >< S+ 0 0 25 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.929 106.9 56.9 -61.3 -47.1 -33.6 4.1 -14.6 413 414 A E H 3< S+ 0 0 149 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.8 49.5 -52.9 -34.8 -31.2 7.0 -14.1 414 415 A N T 3< 0 0 55 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.340 360.0 360.0 -93.4 6.1 -28.4 4.7 -15.3 415 416 A M < 0 0 39 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.825 360.0 360.0 -73.9 360.0 -30.2 3.6 -18.4